SCHEMBL7528404

SCHEMBL7528404

CC(C)(C)c1nnc(C(=O)CCCCNC(=O)C2(C(N)=O)CCCCC2)o1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SPHK1 Q9NYA1 9/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CES1 P23141 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7537367 0.78 CTSK (0.42) CTSLCTSBCTSSCTSKCES1
SCHEMBL7533228 0.73 DAGLA (0.50) CTSSCES1
SCHEMBL7530434 0.73 DAGLA (0.52) CES1
SCHEMBL7528407 0.69 CTSL (0.33) CTSLCTSBCTSSCTSKDPP4
SCHEMBL6184610 0.64 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL6252796 0.64 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL6252181 0.64 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL2678471 0.62 DPP4 (0.36) DPP4DPP8DPP7
SCHEMBL29050666 0.61 ALDH1A1 (0.34) SPHK1
SCHEMBL10447393 0.61 MME (0.34) SPHK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed